(3α,5β)-3,21-Bis(acetyloxy)-17-hydroxypregnane-11,20-dione

CAS Registry Number®

28439-40-9
No image available.

CAS Name

(3α,5β)-3,21-Bis(acetyloxy)-17-hydroxypregnane-11,20-dione

Molecular Formula

C25H36O7

Molecular Mass

448.55

Cite this Page

(3α,5β)-3,21-Bis(acetyloxy)-17-hydroxypregnane-11,20-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=28439-40-9 (retrieved 2024-08-02) (CAS RN: 28439-40-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C25H36O7/c1-14(26)31-13-21(29)25(30)10-8-19-18-6-5-16-11-17(32-15(2)27)7-9-23(16,3)22(18)20(28)12-24(19,25)4/h16-19,22,30H,5-13H2,1-4H3/t16-,17-,18+,19+,22-,23+,24+,25+/m1/s1

InChIKey

InChIKey=PXQRJZNDFRAFTF-BQCMLFGMSA-N

SMILES

C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@](CC3)(C[C@H](OC(C)=O)CC4)[H])(C(=O)C1)[H])[H])(CC[C@@]2(C(COC(C)=O)=O)O)[H]

Canonical SMILES

O=C(OCC(=O)C1(O)CCC2C3CCC4CC(OC(=O)C)CCC4(C)C3C(=O)CC21C)C

Other Names for this Substance

  • Pregnane-11,20-dione, 3,21-bis(acetyloxy)-17-hydroxy-, (3α,5β)-
  • 5β-Pregnane-11,20-dione, 3α,17,21-trihydroxy-, 3,21-diacetate
  • (3α,5β)-3,21-Bis(acetyloxy)-17-hydroxypregnane-11,20-dione
  • L 502379-0
  • 3α,17,21-Trihydroxy-5β-pregnane-11,20-dione 3,21-diacetate

View All